C1=CC(=CC=C1CCCC(=O)O)[N+](=O)[O-]
CAS: 5600-62-4
Name: 4-(4-nitrophenyl)butanoic acid
SMILES: C1=CC(=CC=C1CCCC(=O)O)[N+](=O)[O-]

Molecular Processing

Molecular formula
C10H11NO4
Molecular weight
209.2
Exact mass
209.0688
XLogP
2
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
53.67

Supplementary Information

InChIKey: WQMLUHZFRFCQDB-UHFFFAOYSA-N
Synonyme
4-(4-Nitrophenyl)butyric acidEINECS 227-019-9DTXSID10204572NSC 78455RefChem:514462DTXCID40127063227-019-95600-62-44-(4-Nitrophenyl)butanoic acid4-(4-Nitro-phenyl)-butyric acid4-(p-Nitrophenyl)butyric acid4-Nitrobenzenebutanoic acidMFCD00007387Benzenebutanoic acid, 4-nitro-.gamma.-(p-Nitrophenyl)butyric acidNSC-784554-{4-nitrophenyl}butanoic acid4-Nitro benzenebutanoic acid4-Nitro-benzenebutanoic acidNSC784552QS5HKY9SPOprea1_361179SCHEMBL135651CHEMBL24371084-(4-Nitrophenyl)butanoic acid #SBB008603AKOS0060390544-(4-Nitrophenyl)butyric acid, 98%CS-W015167FN37474
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